SCHEMBL29065589

SCHEMBL29065589

CCC(C)NC(C)CC.OP(O)(O)=S.OP(O)(O)=S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP3 P08254 1/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29065588 0.90 MMP1 (0.40) MMP1MMP2MMP3CA12CA1
SCHEMBL49756 0.82
SCHEMBL9667218 0.82
SCHEMBL172655 0.82
SCHEMBL9667176 0.82
SCHEMBL8776143 0.82
Isopropyl Alcohol SCHEMBL29165293 0.79 TSHR (0.47) MMP1MMP2MMP3CA12CA1
Bromide SCHEMBL11537123 0.78 TSHR (0.41) MMP1MMP2MMP3CA12CA1
Hydrochloric Acid SCHEMBL6813796 0.78 TSHR (0.41) MMP1MMP2MMP3CA12CA1
SCHEMBL17041922 0.78 TSHR (0.41) MMP1MMP2MMP3CA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116441056-B Extraction and separation method of talcum and magnesite concentrate powder 辽宁万峰环保科技有限公司 2023-12-26 CN claimed
CN-116441056-B Extraction and separation method of talcum and magnesite concentrate powder 辽宁万峰环保科技有限公司 2023-12-26 CN disclosed
CN-116441056-A Extraction and separation method of talcum and magnesite concentrate powder 辽宁万峰环保科技有限公司 2023-07-18 CN disclosed